SCHEMBL4694075

SCHEMBL4694075

COc1ccccc1/C=C(/NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
LMNA P02545 3/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
USP2 O75604 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
HPGD P15428 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4692210 1.00 MAPT (0.59) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL4688859 0.92 KDM4E (0.53) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL4692795 0.92 MAPT (0.49) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL4690247 0.89 KMT2A (0.54) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL4691312 0.87 POLB (0.57) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL4691310 0.87 POLB (0.57) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL4692052 0.81 NPSR1 (0.48) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL4692039 0.81 NPSR1 (0.48) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL4692051 0.81 NPSR1 (0.48) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL4692034 0.81 NPSR1 (0.48) MAPTKDM4EALDH1A1KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581496-A4 2-SUBSTITUTED-3-PROPENAMIDE DERIVATIVES AND METHODS OF USING THE SAME GILEAD SCIENCES INC (US) 2008-04-23 EP disclosed
EP-1581496-A2 2-SUBSTITUTED-3-PROPENAMIDE DERIVATIVES AND METHODS OF USING THE SAME GILEAD SCIENCES, INC. (US) 2005-10-05 EP disclosed
WO-2004050613-A2 2-SUBSTITUTED-3-PROPENAMIDE DERIVATIVES AND METHODS OF USING THE SAME GILEAD SCIENCES, INC. (US) 2004-06-17 WO disclosed